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Chemical structure of Methylisothiazolinone-d3 hydrochloride

GC72515

Methylisothiazolinone-d3 hydrochloride

Also known as 2-(trideuteriomethyl)-1,2-thiazol-3-one;hydrochloride

Methylisothiazolinone-d3 (hydrochloride) is the deuterium labeled Methylisothiazolinone (hydrochloride)

ChemicalCAS1329509-49-0MW154.63FormulaC4H3D3ClNOS
CAS number
1329509-49-0
Molecular weight
154.63
Formula
C4H3D3ClNOS
InChIKey
SJXPQSRCFCPWQQ-NIIDSAIPSA-N
Catalogue number
GC72515
Brand
GLPBIO
Computed properties PubChem CID 71750401 · TPSA 45.6 Ų · H-bond donors 1 · H-bond acceptors 2
TPSA
45.6 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
8

SMILES [2H]C([2H])([2H])N1C(=O)C=CS1.Cl

Computed descriptors from PubChem (CID 71750401), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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